3-[(3-carbamimidoylphenyl)-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynyl]amino]propanoic acid

Systemtic Name: 3-[(3-carbamimidoylphenyl)-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynyl]amino]propanoic acid Openeye Name: 3-[3-carbamimidoyl-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]propanoic acid CAS Name: 3-[3-carbamimidoyl-N-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynyl]anilino]propanoic acid IUPAC Name: 3-[3-carbamimidoyl-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]propanoic acid Traditional Name: 3-[3-amidino-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]propionic acid Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCN(CCC(=O)O)C2=CC=CC(=C2)C(=N)N)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCN(CCC(=O)O)C2=CC=CC(=C2)C(=N)N)C(=O)N3CCCC3

InChI

InChI=1S/C25H28N4O3/c1-18-16-19(9-10-22(18)25(32)29-12-2-3-13-29)6-5-14-28(15-11-23(30)31)21-8-4-7-20(17-21)24(26)27/h4,7-10,16-17H,2-3,11-15H2,1H3,(H3,26,27)(H,30,31)